(4-nitrophenyl) 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl) 2-(2-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl) 2-(2-acetamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(2-acetamido-2-chlorosulfinyl-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(2-acetamido-2-chlorosulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(2-acetamido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrophenyl) ester Formula: C16H16ClN3O7S MolecularWeight: 429.83214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)CC2(NC(=O)C)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)CC2(NC(=O)C)S(=O)Cl

InChI

InChI=1S/C16H16ClN3O7S/c1-9(2)14(15(23)27-12-6-4-11(5-7-12)20(24)25)19-13(22)8-16(19,28(17)26)18-10(3)21/h4-7,14H,1,8H2,2-3H3,(H,18,21)